Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8200402 | 0.88 | HTR2C (0.48) | CCR5HTR2CHTR7SIGMAR1SLC18A3 | |
| Hydrochloric Acid SCHEMBL8199293 | 0.85 | HTR2C (0.46) | HTR2CHTR7SIGMAR1SLC18A3 | |
| SCHEMBL8199643 | 0.83 | CCR5 (0.48) | CCR5HTR2CHTR7SIGMAR1SLC18A3 | |
| SCHEMBL8203362 | 0.82 | HTR2C (0.50) | CCR5HRH3HTR2CHTR7SIGMAR1 | |
| SCHEMBL8200419 | 0.81 | SIGMAR1 (0.44) | HTR2CSIGMAR1SMN1; SMN2TSHR | |
| SCHEMBL8588349 | 0.81 | SIGMAR1 (0.44) | HTR2CSIGMAR1SMN1; SMN2TSHR | |
| SCHEMBL8589678 | 0.81 | SIGMAR1 (0.44) | HTR2CSIGMAR1SMN1; SMN2TSHR | |
| SCHEMBL8203504 | 0.81 | HTR2C (0.42) | HRH3HTR2CHTR7SIGMAR1SLC18A3 | |
| SCHEMBL8198484 | 0.81 | HTR2C (0.42) | HTR2CHTR7SIGMAR1SLC18A3TSHR | |
| SCHEMBL8200044 | 0.80 | SIGMAR1 (0.47) | SIGMAR1TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | claimed |
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | claimed |
| US-6048877-A | Tetralone derivatives as antiarrhythmic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-04-11 | — | — | US | disclosed |
| WO-1998036749-A1 | TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-08-27 | — | — | WO | disclosed |